[Pw_forum] DOS calculation
vinothrece at gmail.com
Sun Feb 20 04:13:27 CET 2011
Dear pwscf user,
i want to calculate DOS for Graphene Nanoribbon.I
optimized my GNR using relax calculation.i finished my SCFcalculation
also.while doing NSCF calculation i got like (last few lines of my nscf
negative rho (up, down): 0.227E-02 0.000E+00
Starting wfc are 132 atomic wfcs
total cpu time spent up to now is 90.08 secs
per-process dynamical memory: 730.3 Mb
Band Structure Calculation.
After 5 hours also it doesnt calculate any thing & it doesnt show any
error.Could you help me to rectify the problem.
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